(1R,5R,6R,7R)-7-(hydroxymethyl)-N-phenyl-3-oxabicyclo[3.2.0]heptane-6-carboxamide

C14H17NO3 — CID 155921384

IUPAC(1R,5R,6R,7R)-7-(hydroxymethyl)-N-phenyl-3-oxabicyclo[3.2.0]heptane-6-carboxamide
SMILESO=C(Nc1ccccc1)[C@@H]1[C@H](CO)[C@H]2COC[C@H]21
InChIInChI=1S/C14H17NO3/c16-6-10-11-7-18-8-12(11)13(10)14(17)15-9-4-2-1-3-5-9/h1-5,10-13,16H,6-8H2,(H,15,17)/t10-,11-,12-,13-/m1/s1
InChIKeyIRQFNIZPHAWVGK-FDYHWXHSSA-N
MW247.29 g/mol
LogP1.13
Rot. Bonds3

About (1R,5R,6R,7R)-7-(hydroxymethyl)-N-phenyl-3-oxabicyclo[3.2.0]heptane-6-carboxamide

(1R,5R,6R,7R)-7-(hydroxymethyl)-N-phenyl-3-oxabicyclo[3.2.0]heptane-6-carboxamide (PubChem CID 155921384) has the molecular formula C14H17NO3 and a molecular weight of 247.29 g/mol. Its IUPAC name is (1R,5R,6R,7R)-7-(hydroxymethyl)-N-phenyl-3-oxabicyclo[3.2.0]heptane-6-carboxamide.

Molecular Properties

Compound Name(1R,5R,6R,7R)-7-(hydroxymethyl)-N-phenyl-3-oxabicyclo[3.2.0]heptane-6-carboxamide
PubChem CID155921384
Molecular FormulaC14H17NO3
Molecular Weight247.29 g/mol
Exact Mass247.12
IUPAC Name(1R,5R,6R,7R)-7-(hydroxymethyl)-N-phenyl-3-oxabicyclo[3.2.0]heptane-6-carboxamide
SMILESO=C(Nc1ccccc1)[C@@H]1[C@H](CO)[C@H]2COC[C@H]21
InChIInChI=1S/C14H17NO3/c16-6-10-11-7-18-8-12(11)13(10)14(17)15-9-4-2-1-3-5-9/h1-5,10-13,16H,6-8H2,(H,15,17)/t10-,11-,12-,13-/m1/s1
InChIKeyIRQFNIZPHAWVGK-FDYHWXHSSA-N
XLogP1.13
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.29
LogP ≤ 51.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze (1R,5R,6R,7R)-7-(hydroxymethyl)-N-phenyl-3-oxabicyclo[3.2.0]heptane-6-carboxamide with MolForge

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Related Compounds

(1S,5S,6S)-N-phenyl-2-oxabicyclo[3.1.0]hexane-6-carboxamide
CID 165119310
(5R)-N-phenyl-3-azabicyclo[3.1.0]hexane-6-carboxamide
CID 175368389
N-phenyl-3-oxa-6-azabicyclo[3.1.0]hexane-6-carboxamide
CID 121224830
(1R,2S,3R,4S)-2-N,3-N-diphenylbicyclo[2.2.1]hept-5-ene-2,3-dicarboxamide
CID 11897377
(2R,3S)-3-(phenylcarbamoyl)bicyclo[2.2.2]octane-2-carboxylic acid
CID 1400202
N-phenyl-1,4-dioxane-2-carboxamide
CID 47176768
(2S)-N-phenyl-1,4-dioxane-2-carboxamide
CID 39885866
oxetan-3-yl N-phenylcarbamate
CID 54313632
(1R,2S,3R,4R)-3-(phenylcarbamoyl)bicyclo[2.2.2]oct-5-ene-2-carboxylic acid
CID 98524708
(1R,2R,3S,4S)-3-(phenylcarbamoyl)-7-oxabicyclo[2.2.1]hept-5-ene-2-carboxylic acid
CID 6713618
(1S,2S,3S,4R)-3-(phenylcarbamoyl)bicyclo[2.2.1]heptane-2-carboxylic acid
CID 1216637
(1R,2S,3R,4S)-3-(phenylcarbamoyl)-7-oxabicyclo[2.2.1]hept-5-ene-2-carboxylic acid
CID 25431583

Frequently Asked Questions

What is the IUPAC name of (1R,5R,6R,7R)-7-(hydroxymethyl)-N-phenyl-3-oxabicyclo[3.2.0]heptane-6-carboxamide?
The IUPAC name of (1R,5R,6R,7R)-7-(hydroxymethyl)-N-phenyl-3-oxabicyclo[3.2.0]heptane-6-carboxamide (CID 155921384) is (1R,5R,6R,7R)-7-(hydroxymethyl)-N-phenyl-3-oxabicyclo[3.2.0]heptane-6-carboxamide.
What is the SMILES notation for (1R,5R,6R,7R)-7-(hydroxymethyl)-N-phenyl-3-oxabicyclo[3.2.0]heptane-6-carboxamide?
The canonical SMILES for (1R,5R,6R,7R)-7-(hydroxymethyl)-N-phenyl-3-oxabicyclo[3.2.0]heptane-6-carboxamide is O=C(Nc1ccccc1)[C@@H]1[C@H](CO)[C@H]2COC[C@H]21.
What is the InChIKey of (1R,5R,6R,7R)-7-(hydroxymethyl)-N-phenyl-3-oxabicyclo[3.2.0]heptane-6-carboxamide?
The InChIKey is IRQFNIZPHAWVGK-FDYHWXHSSA-N. The full InChI is InChI=1S/C14H17NO3/c16-6-10-11-7-18-8-12(11)13(10)14(17)15-9-4-2-1-3-5-9/h1-5,10-13,16H,6-8H2,(H,15,17)/t10-,11-,12-,13-/m1/s1.
What are the key properties of (1R,5R,6R,7R)-7-(hydroxymethyl)-N-phenyl-3-oxabicyclo[3.2.0]heptane-6-carboxamide?
(1R,5R,6R,7R)-7-(hydroxymethyl)-N-phenyl-3-oxabicyclo[3.2.0]heptane-6-carboxamide has a molecular weight of 247.29 g/mol, XLogP of 1.13, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1R,5R,6R,7R)-7-(hydroxymethyl)-N-phenyl-3-oxabicyclo[3.2.0]heptane-6-carboxamide is sourced from PubChem (CID 155921384), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).